#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jac s LYS 2 N 0.00 4.36 0.36 1.61 2.36 0.79 -4.68 119.74 124.54 1jac s LYS 2 Ca 0.00 1.11 -0.25 0.00 -2.55 0.00 0.00 55.97 54.29 1jac s LYS 2 Cb 0.00 -3.55 -0.10 0.00 -1.05 0.00 0.00 37.83 33.14 1jac s LYS 2 CO 0.00 -0.27 0.99 0.00 1.55 0.00 0.00 175.35 177.62 1jac s ALA 3 N 1.91 3.15 0.04 3.13 0.00 -1.26 -1.03 121.76 127.71 1jac s ALA 3 Ca 0.41 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.96 1jac s ALA 3 Cb -0.17 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 1jac s ALA 3 CO 0.15 0.01 -0.04 -0.59 0.00 0.00 0.00 175.76 175.30 1jac s PHE 4 N -1.69 0.47 -0.26 0.00 -0.71 -0.43 -4.95 117.98 110.41 1jac s PHE 4 Ca 0.54 -0.84 -0.03 0.00 -1.04 0.00 0.00 56.93 55.56 1jac s PHE 4 Cb -0.19 -0.33 0.15 0.00 -1.21 0.00 0.00 43.02 41.44 1jac s PHE 4 CO 0.24 -0.28 0.47 0.34 -1.34 0.00 0.00 175.22 174.65 1jac s ASP 5 N -2.36 -0.43 0.07 1.98 -1.08 -1.26 -1.01 116.67 112.58 1jac s ASP 5 Ca -0.01 0.58 -0.03 0.00 -0.52 0.00 0.00 52.55 52.57 1jac s ASP 5 Cb 0.01 1.55 -0.27 0.00 -1.46 0.00 0.00 42.92 42.75 1jac s ASP 5 CO -0.06 -0.28 1.10 0.44 0.52 0.00 0.00 175.17 176.89 1jac h ASP 6 N 8.11 0.37 -5.00 -0.34 3.32 -1.56 -3.49 116.42 117.84 1jac h ASP 6 Ca -0.20 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1jac h ASP 6 Cb 1.15 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1jac h ASP 6 CO 0.25 1.33 0.00 0.61 -1.72 0.00 0.00 179.24 179.71 1jac n GLY 7 N 1.54 -2.25 3.79 2.75 0.00 -1.25 -4.98 105.19 104.78 1jac n GLY 7 Ca -0.09 -2.12 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 1jac n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jac s ALA 8 N -1.62 3.60 0.00 4.61 0.00 -1.26 -4.06 121.76 123.03 1jac s ALA 8 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1jac s ALA 8 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1jac s ALA 8 CO 0.00 0.65 0.00 1.19 0.00 0.00 0.00 175.76 177.60 1jac n PHE 9 N 1.63 0.00 0.28 0.00 3.01 -0.72 -5.02 117.46 116.64 1jac n PHE 9 Ca -0.16 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.41 1jac n PHE 9 Cb 0.53 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.93 1jac n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jac n THR 10 N 0.00 0.17 -1.64 4.37 -1.04 -0.69 -4.91 114.28 110.54 1jac n THR 10 Ca 0.00 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 1jac n THR 10 Cb 0.00 0.10 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 1jac n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jac n GLY 11 N 1.30 -1.42 3.01 3.41 0.00 -1.16 -4.95 105.19 105.39 1jac n GLY 11 Ca -0.01 -1.00 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1jac n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jac s ILE 12 N -2.50 1.27 -0.24 -0.61 1.01 -1.26 -1.34 121.20 117.53 1jac s ILE 12 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1jac s ILE 12 Cb 0.00 -1.19 -0.17 0.00 0.01 0.00 0.00 42.46 41.11 1jac s ILE 12 CO 0.00 0.40 -0.15 0.54 0.00 0.00 0.00 174.94 175.72 1jac n ARG 13 N 4.25 0.64 -3.71 2.79 1.74 -0.44 -4.81 116.66 117.12 1jac n ARG 13 Ca -0.19 0.23 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1jac n ARG 13 Cb 0.51 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.30 1jac n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1jac s GLU 14 N -2.51 0.60 -0.08 5.56 2.12 -0.72 -1.48 118.70 122.19 1jac s GLU 14 Ca -0.34 0.54 0.04 0.00 0.36 0.00 0.00 54.97 55.58 1jac s GLU 14 Cb 0.10 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 1jac s GLU 14 CO 0.59 -0.09 -0.23 0.42 -0.54 0.00 0.00 175.26 175.41 1jac s ILE 15 N -0.01 2.22 -0.27 -3.70 1.01 0.88 0.31 121.20 121.64 1jac s ILE 15 Ca -0.02 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1jac s ILE 15 Cb -0.03 -1.84 0.07 0.00 0.01 0.00 0.00 42.46 40.66 1jac s ILE 15 CO 0.02 0.56 -0.08 0.20 0.00 0.00 0.00 174.94 175.64 1jac s ASN 16 N 0.06 4.39 0.42 3.58 0.01 0.11 0.68 114.94 124.18 1jac s ASN 16 Ca -0.10 -1.46 0.07 0.00 -0.71 0.00 0.00 52.86 50.66 1jac s ASN 16 Cb -0.15 -1.49 -0.08 0.00 0.41 0.00 0.00 41.25 39.94 1jac s ASN 16 CO 0.06 -0.22 0.01 -1.48 -1.51 0.00 0.00 177.10 173.95 1jac s LEU 17 N 1.13 2.84 0.06 0.60 0.05 -0.63 -1.13 118.68 121.60 1jac s LEU 17 Ca -0.06 -1.39 0.02 0.00 0.05 0.00 0.00 54.13 52.75 1jac s LEU 17 Cb -0.20 -0.89 -0.03 0.00 -2.05 0.00 0.00 46.19 43.02 1jac s LEU 17 CO -0.06 -0.47 -0.06 -0.55 -0.55 0.00 0.00 176.35 174.65 1jac s SER 18 N -3.72 0.87 0.05 1.48 0.15 -0.47 -0.92 113.70 111.15 1jac s SER 18 Ca 0.33 -0.76 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 1jac s SER 18 Cb 0.09 0.08 0.09 0.00 -1.71 0.00 0.00 66.02 64.57 1jac s SER 18 CO 0.17 -0.35 0.75 -0.72 1.20 0.00 0.00 173.24 174.29 1jac s TYR 19 N -2.49 -0.46 0.08 3.44 1.13 -0.60 -0.74 117.35 117.71 1jac s TYR 19 Ca -0.01 0.39 0.09 0.00 -1.41 0.00 0.00 57.07 56.13 1jac s TYR 19 Cb -0.02 0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 41.33 1jac s TYR 19 CO -0.03 -0.67 -0.22 1.21 -2.51 0.00 0.00 175.55 173.34 1jac s ASN 20 N -2.36 3.59 0.00 -0.18 3.84 -0.54 -0.48 114.94 118.80 1jac s ASN 20 Ca 0.01 -0.57 0.28 0.00 0.21 0.00 0.00 52.86 52.80 1jac s ASN 20 Cb -0.01 -0.44 1.12 0.00 -0.55 0.00 0.00 41.25 41.37 1jac s ASN 20 CO -0.08 0.22 1.80 0.29 -2.79 0.00 0.00 177.10 176.54 1jac n LYS 21 N 1.26 0.54 -0.00 0.43 4.01 -1.26 -3.35 118.16 119.78 1jac n LYS 21 Ca -0.17 -0.20 0.05 0.00 -0.51 0.00 0.00 58.31 57.48 1jac n LYS 21 Cb 0.52 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.49 1jac n LYS 21 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1jac n GLU 22 N -1.06 3.56 0.00 1.97 1.02 -1.26 -4.67 120.64 120.20 1jac n GLU 22 Ca 0.12 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1jac n GLU 22 Cb 0.30 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1jac n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jac n THR 23 N -1.27 0.00 -1.87 2.62 -2.24 -1.21 -5.05 114.28 105.25 1jac n THR 23 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1jac n THR 23 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1jac n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jac n ALA 24 N -3.00 0.00 -2.72 6.98 0.00 -1.24 -4.54 120.51 115.99 1jac n ALA 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1jac n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1jac n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jac s ILE 25 N -2.52 5.08 0.00 0.00 1.01 -1.06 -1.47 121.20 122.24 1jac s ILE 25 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 60.65 61.99 1jac s ILE 25 Cb 0.00 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1jac s ILE 25 CO 0.00 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.82 1jac n GLY 26 N 3.15 0.38 3.70 6.18 0.00 0.08 -0.13 105.19 118.55 1jac n GLY 26 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1jac n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jac n ASP 27 N 0.00 1.92 -3.73 1.61 8.00 -1.26 -4.38 116.55 118.71 1jac n ASP 27 Ca 0.00 0.86 -0.14 0.00 0.71 0.00 0.00 54.79 56.23 1jac n ASP 27 Cb 0.00 -1.52 -0.14 0.00 -0.02 0.00 0.00 41.12 39.44 1jac n ASP 27 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jac s PHE 28 N -1.39 -0.22 -0.02 1.24 5.36 -0.42 -1.36 117.98 121.18 1jac s PHE 28 Ca 0.78 0.60 -0.26 0.00 -0.96 0.00 0.00 56.93 57.09 1jac s PHE 28 Cb -0.40 -0.08 0.06 0.00 -0.34 0.00 0.00 43.02 42.26 1jac s PHE 28 CO 0.44 -0.21 0.57 -1.14 -1.46 0.00 0.00 175.22 173.42 1jac s GLN 29 N 1.42 0.97 -0.13 10.12 -0.44 -0.29 -1.63 119.66 129.69 1jac s GLN 29 Ca -0.07 0.05 -0.16 0.00 -2.50 0.00 0.00 55.36 52.68 1jac s GLN 29 Cb -0.11 0.45 0.04 0.00 -1.64 0.00 0.00 33.01 31.75 1jac s GLN 29 CO -0.07 -0.31 0.43 0.54 0.50 0.00 0.00 175.29 176.38 1jac s VAL 30 N -1.49 0.01 -0.37 1.34 0.11 -1.26 0.06 120.40 118.79 1jac s VAL 30 Ca -0.10 -0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.71 1jac s VAL 30 Cb -0.01 -0.64 0.00 0.00 -1.53 0.00 0.00 36.38 34.20 1jac s VAL 30 CO 0.06 -0.05 0.28 0.68 -3.33 0.00 0.00 175.10 172.74 1jac s VAL 31 N -0.18 5.26 0.92 2.04 -7.23 0.15 -1.29 120.40 120.07 1jac s VAL 31 Ca -0.03 -0.40 -0.12 0.00 -1.81 0.00 0.00 61.98 59.62 1jac s VAL 31 Cb -0.03 -3.83 0.20 0.00 0.56 0.00 0.00 36.38 33.28 1jac s VAL 31 CO 0.02 -0.16 1.26 -0.31 -0.31 0.00 0.00 175.10 175.59 1jac s TYR 32 N 1.74 1.37 -0.22 2.82 2.02 0.28 -1.33 117.35 124.03 1jac s TYR 32 Ca 0.06 0.08 -0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1jac s TYR 32 Cb -0.18 -3.88 0.02 0.00 -0.40 0.00 0.00 41.96 37.52 1jac s TYR 32 CO 0.10 -2.52 -0.11 0.34 -1.57 0.00 0.00 175.55 171.79 1jac s ASP 33 N -4.90 3.86 -0.44 2.29 2.15 -0.45 -0.23 116.67 118.95 1jac s ASP 33 Ca 0.74 -0.73 -0.08 0.00 0.43 0.00 0.00 52.55 52.91 1jac s ASP 33 Cb -0.03 -1.60 0.11 0.00 -0.30 0.00 0.00 42.92 41.10 1jac s ASP 33 CO 0.51 -0.06 0.29 -0.22 -0.17 0.00 0.00 175.17 175.52 1jac s LEU 34 N 1.33 5.46 -1.28 -1.34 2.96 0.12 -1.70 118.68 124.23 1jac s LEU 34 Ca 0.02 -1.85 -0.14 0.00 -0.22 0.00 0.00 54.13 51.94 1jac s LEU 34 Cb -0.15 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1jac s LEU 34 CO -0.08 -0.62 0.58 0.59 -1.32 0.00 0.00 176.35 175.51 1jac n ASN 35 N 4.83 -2.84 0.00 3.68 5.03 -1.26 -1.60 115.26 123.10 1jac n ASN 35 Ca -0.07 -1.08 0.00 0.00 0.87 0.00 0.00 54.58 54.30 1jac n ASN 35 Cb 0.41 -2.85 0.00 0.00 -1.02 0.00 0.00 39.78 36.32 1jac n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jac n GLY 36 N -1.93 3.11 3.70 7.41 0.00 -1.26 -5.03 105.19 111.19 1jac n GLY 36 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1jac n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jac s SER 37 N -0.43 5.17 0.38 1.61 0.01 -0.63 -5.08 113.70 114.72 1jac s SER 37 Ca 0.00 -0.03 -0.27 0.00 1.31 0.00 0.00 55.95 56.96 1jac s SER 37 Cb 0.00 -1.34 -0.09 0.00 0.21 0.00 0.00 66.02 64.80 1jac s SER 37 CO 0.00 0.25 1.26 -2.84 0.41 0.00 0.00 173.24 172.32 1jac s PRO 38 N -1.79 4.14 -0.23 12.44 0.02 -1.26 0.16 135.00 148.48 1jac s PRO 38 Ca 0.22 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 1jac s PRO 38 Cb -0.12 -2.85 0.06 0.00 0.02 0.00 0.00 34.50 31.61 1jac s PRO 38 CO 0.13 -0.32 -0.01 -0.47 -0.33 0.00 0.00 177.00 176.00 1jac s TYR 39 N -1.26 1.90 -0.34 6.54 6.14 0.68 -4.70 117.35 126.32 1jac s TYR 39 Ca 0.54 -1.48 -0.29 0.00 0.64 0.00 0.00 57.07 56.48 1jac s TYR 39 Cb -0.36 -1.43 0.01 0.00 0.42 0.00 0.00 41.96 40.60 1jac s TYR 39 CO 0.47 -0.73 1.16 0.54 0.64 0.00 0.00 175.55 177.63 1jac s VAL 40 N 1.56 4.34 1.02 3.14 0.11 -1.26 0.99 120.40 130.29 1jac s VAL 40 Ca -0.02 1.51 -0.14 0.00 -2.93 0.00 0.00 61.98 60.39 1jac s VAL 40 Cb -0.18 -4.37 0.20 0.00 -1.53 0.00 0.00 36.38 30.50 1jac s VAL 40 CO -0.08 -0.57 1.13 -0.83 -3.33 0.00 0.00 175.10 171.41 1jac s GLY 41 N 2.16 1.59 0.37 6.54 0.00 -0.41 -4.93 107.32 112.63 1jac s GLY 41 Ca 0.49 -0.62 -0.25 0.00 0.00 0.00 0.00 44.72 44.34 1jac s GLY 41 CO 0.21 0.05 1.03 1.62 0.00 0.00 0.00 173.10 176.00 1jac s GLN 42 N -5.23 4.31 -0.18 2.90 0.74 -1.26 -4.71 119.66 116.22 1jac s GLN 42 Ca 0.67 1.48 -0.29 0.00 0.05 0.00 0.00 55.36 57.27 1jac s GLN 42 Cb -0.14 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.32 1jac s GLN 42 CO 0.56 -0.00 1.04 1.21 -0.55 0.00 0.00 175.29 177.54 1jac s ASN 43 N -1.53 7.14 -0.41 6.67 3.84 -1.26 -4.61 114.94 124.78 1jac s ASN 43 Ca 0.55 1.45 -0.09 0.00 0.21 0.00 0.00 52.86 54.98 1jac s ASN 43 Cb -0.22 -2.55 0.07 0.00 -0.55 0.00 0.00 41.25 38.01 1jac s ASN 43 CO 0.27 -0.60 0.25 -1.00 -2.79 0.00 0.00 177.10 173.24 1jac s HIS 44 N 2.79 3.33 0.41 0.43 3.76 -0.64 -5.03 115.29 120.34 1jac s HIS 44 Ca 0.46 -1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 53.88 1jac s HIS 44 Cb -0.16 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 1jac s HIS 44 CO 0.11 -0.83 0.64 0.15 -0.85 0.00 0.00 174.74 173.96 1jac s LYS 45 N 1.43 3.39 0.61 1.40 3.01 -1.26 -1.30 119.74 127.03 1jac s LYS 45 Ca 0.03 -0.23 -0.10 0.00 -1.01 0.00 0.00 55.97 54.66 1jac s LYS 45 Cb -0.23 -2.56 -0.03 0.00 -1.01 0.00 0.00 37.83 34.01 1jac s LYS 45 CO 0.02 -0.06 1.00 0.45 0.51 0.00 0.00 175.35 177.28 1jac s SER 46 N -4.10 6.06 0.01 2.83 0.15 -1.26 -4.81 113.70 112.57 1jac s SER 46 Ca 0.44 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.61 1jac s SER 46 Cb -0.10 -2.30 1.10 0.00 -1.71 0.00 0.00 66.02 63.02 1jac s SER 46 CO 0.39 -0.92 1.83 0.49 1.20 0.00 0.00 173.24 176.23 1jac n PHE 47 N -2.72 0.05 -4.60 3.44 3.72 0.11 -4.84 117.46 112.61 1jac n PHE 47 Ca 0.05 0.01 -0.28 0.00 -0.05 0.00 0.00 57.45 57.19 1jac n PHE 47 Cb 0.55 -0.52 -0.08 0.00 -0.94 0.00 0.00 39.48 38.48 1jac n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1jac s ILE 48 N -3.01 0.94 0.00 4.37 -4.36 -1.26 -5.01 121.20 112.87 1jac s ILE 48 Ca 0.12 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1jac s ILE 48 Cb 0.17 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.51 1jac s ILE 48 CO 0.48 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.01 1jac n THR 49 N -1.02 0.00 -0.15 8.37 -2.24 -1.26 -4.91 114.28 113.06 1jac n THR 49 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1jac n THR 49 Cb 0.66 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1jac n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jac n GLY 50 N 5.00 0.88 3.92 3.38 0.00 -1.26 -5.08 105.19 112.03 1jac n GLY 50 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1jac n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jac s PHE 51 N -2.04 3.47 -0.23 1.61 0.08 -1.26 -4.81 117.98 114.80 1jac s PHE 51 Ca 0.00 0.68 -0.06 0.00 0.12 0.00 0.00 56.93 57.67 1jac s PHE 51 Cb 0.00 -2.33 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1jac s PHE 51 CO 0.00 -0.34 0.04 0.99 -0.10 0.00 0.00 175.22 175.81 1jac s THR 52 N -2.72 4.10 0.35 0.64 2.01 0.37 -4.85 115.64 115.54 1jac s THR 52 Ca 0.48 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.97 1jac s THR 52 Cb -0.10 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 1jac s THR 52 CO 0.43 0.37 1.02 -2.16 -0.69 0.00 0.00 174.62 173.59 1jac s PRO 53 N 1.43 4.41 -0.01 4.92 0.04 -1.26 -1.56 135.00 142.97 1jac s PRO 53 Ca 0.05 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.58 1jac s PRO 53 Cb -0.15 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.65 1jac s PRO 53 CO 0.02 0.09 0.00 0.08 0.04 0.00 0.00 177.00 177.23 1jac s VAL 54 N -1.55 0.04 -0.13 -0.36 1.01 -0.09 -4.99 120.40 114.33 1jac s VAL 54 Ca 0.52 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.57 1jac s VAL 54 Cb -0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1jac s VAL 54 CO 0.28 0.06 -0.17 -0.75 0.00 0.00 0.00 175.10 174.52 1jac s LYS 55 N 0.44 3.23 -0.37 2.72 2.20 -1.26 -1.60 119.74 125.10 1jac s LYS 55 Ca -0.04 -0.76 -0.02 0.00 -0.36 0.00 0.00 55.97 54.79 1jac s LYS 55 Cb -0.06 -2.53 0.09 0.00 -1.51 0.00 0.00 37.83 33.82 1jac s LYS 55 CO -0.01 0.13 0.14 0.42 -0.36 0.00 0.00 175.35 175.67 1jac s ILE 56 N 0.51 3.16 -0.28 5.43 1.01 0.21 -4.98 121.20 126.27 1jac s ILE 56 Ca -0.11 -1.87 -0.12 0.00 0.00 0.00 0.00 60.65 58.55 1jac s ILE 56 Cb -0.16 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1jac s ILE 56 CO 0.05 -0.52 0.22 -0.44 0.00 0.00 0.00 174.94 174.25 1jac s SER 57 N 1.60 6.06 0.13 3.58 0.01 -1.26 -0.08 113.70 123.74 1jac s SER 57 Ca 0.05 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.29 1jac s SER 57 Cb -0.22 -2.14 -0.06 0.00 0.21 0.00 0.00 66.02 63.82 1jac s SER 57 CO -0.03 -0.07 0.40 -0.76 0.41 0.00 0.00 173.24 173.19 1jac s LEU 58 N 1.80 4.28 -1.42 2.44 1.02 -0.55 -4.96 118.68 121.29 1jac s LEU 58 Ca 0.08 0.68 -0.14 0.00 0.02 0.00 0.00 54.13 54.78 1jac s LEU 58 Cb -0.16 -3.25 0.06 0.00 0.02 0.00 0.00 46.19 42.85 1jac s LEU 58 CO 0.11 0.07 2.12 -0.67 0.02 0.00 0.00 176.35 178.00 1jac n ASP 59 N 0.30 4.14 0.00 2.29 2.03 -1.26 -4.86 116.55 119.20 1jac n ASP 59 Ca -0.04 -2.88 0.00 0.00 0.52 0.00 0.00 54.79 52.40 1jac n ASP 59 Cb 0.52 -1.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 1jac n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1jac n PHE 60 N 6.23 0.00 -0.03 -0.67 7.35 -1.26 -0.92 117.46 128.16 1jac n PHE 60 Ca 0.50 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 57.09 1jac n PHE 60 Cb 0.40 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.19 1jac n PHE 60 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1jac h PRO 61 N 0.00 -0.35 0.00 -7.13 0.11 -1.93 -2.50 132.00 120.20 1jac h PRO 61 Ca 0.00 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.08 1jac h PRO 61 Cb 0.00 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 1jac h PRO 61 CO 0.00 -0.23 -0.27 0.66 -0.21 0.00 0.00 178.00 177.94 1jac h SER 62 N -0.37 0.00 -3.36 -2.05 4.64 -1.96 -3.41 113.55 107.05 1jac h SER 62 Ca 0.11 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.79 1jac h SER 62 Cb 0.55 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.41 1jac h SER 62 CO -0.41 0.27 -0.68 -0.70 -0.87 0.00 0.00 176.83 174.45 1jac s GLU 63 N -4.12 3.61 0.07 4.77 2.12 -0.09 -4.93 118.70 120.12 1jac s GLU 63 Ca -0.02 -0.54 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 1jac s GLU 63 Cb 0.13 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.56 1jac s GLU 63 CO 0.67 0.13 0.17 1.52 -0.54 0.00 0.00 175.26 177.21 1jac s TYR 64 N 0.66 0.14 0.30 5.30 1.13 -1.26 -4.31 117.35 119.31 1jac s TYR 64 Ca -0.02 -0.50 -0.29 0.00 -1.41 0.00 0.00 57.07 54.85 1jac s TYR 64 Cb -0.14 -0.07 -0.10 0.00 -1.10 0.00 0.00 41.96 40.54 1jac s TYR 64 CO 0.02 -0.48 1.17 0.42 -2.51 0.00 0.00 175.55 174.17 1jac s ILE 65 N -3.33 3.20 0.00 -3.49 1.01 -1.26 -2.47 121.20 114.86 1jac s ILE 65 Ca 0.01 1.21 0.00 0.00 0.00 0.00 0.00 60.65 61.87 1jac s ILE 65 Cb 0.03 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1jac s ILE 65 CO -0.08 0.28 0.00 0.23 0.00 0.00 0.00 174.94 175.37 1jac n MET 66 N 1.02 5.38 -3.63 2.79 2.81 0.85 -4.72 117.12 121.62 1jac n MET 66 Ca -0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.85 1jac n MET 66 Cb 0.44 -0.53 -0.06 0.00 -0.71 0.00 0.00 33.22 32.35 1jac n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1jac s GLU 67 N -1.04 0.49 -0.13 0.03 2.12 -0.87 -1.13 118.70 118.17 1jac s GLU 67 Ca 0.00 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.22 1jac s GLU 67 Cb 0.00 0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.54 1jac s GLU 67 CO 0.00 -0.11 -0.16 0.08 -0.54 0.00 0.00 175.26 174.53 1jac s VAL 68 N 1.60 2.73 0.26 3.70 1.01 -0.50 -0.44 120.40 128.76 1jac s VAL 68 Ca -0.09 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.16 1jac s VAL 68 Cb -0.05 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1jac s VAL 68 CO -0.17 0.53 0.01 -0.44 0.00 0.00 0.00 175.10 175.04 1jac s SER 69 N 0.47 1.93 0.00 3.32 0.01 -0.28 -0.06 113.70 119.10 1jac s SER 69 Ca -0.11 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1jac s SER 69 Cb -0.16 -0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1jac s SER 69 CO 0.05 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.77 1jac n GLY 70 N -0.49 -1.29 2.99 3.44 0.00 -1.07 -0.71 105.19 108.07 1jac n GLY 70 Ca -0.04 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1jac n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 71 N -3.00 0.53 0.04 1.61 1.51 -1.04 -2.41 117.35 114.60 1jac s TYR 71 Ca 0.00 -0.23 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 1jac s TYR 71 Cb 0.00 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.48 1jac s TYR 71 CO 0.00 -0.03 -0.18 0.95 -1.11 0.00 0.00 175.55 175.18 1jac s THR 72 N -0.56 2.80 0.15 -0.71 -4.23 -0.69 0.24 115.64 112.64 1jac s THR 72 Ca -0.02 -1.20 -0.24 0.00 -1.18 0.00 0.00 61.69 59.05 1jac s THR 72 Cb -0.05 -2.18 0.08 0.00 1.34 0.00 0.00 72.50 71.69 1jac s THR 72 CO 0.00 0.33 1.03 -0.83 -0.54 0.00 0.00 174.62 174.61 1jac s GLY 73 N -1.47 -0.09 -0.28 3.99 0.00 -0.24 -1.99 107.32 107.23 1jac s GLY 73 Ca 0.15 -0.03 -0.24 0.00 0.00 0.00 0.00 44.72 44.60 1jac s GLY 73 CO 0.05 1.13 0.79 0.21 0.00 0.00 0.00 173.10 175.28 1jac s ASN 74 N -3.16 6.70 -0.16 1.64 2.47 -1.26 -0.65 114.94 120.53 1jac s ASN 74 Ca 0.17 0.77 -0.00 0.00 0.42 0.00 0.00 52.86 54.22 1jac s ASN 74 Cb -0.01 -2.41 0.04 0.00 -1.45 0.00 0.00 41.25 37.42 1jac s ASN 74 CO 0.03 -0.57 -0.06 0.54 -3.72 0.00 0.00 177.10 173.32 1jac s VAL 75 N 2.90 1.12 -1.48 -5.21 0.11 0.02 -4.74 120.40 113.12 1jac s VAL 75 Ca 0.33 -0.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.73 1jac s VAL 75 Cb -0.15 -1.26 0.03 0.00 -1.53 0.00 0.00 36.38 33.47 1jac s VAL 75 CO 0.11 0.18 0.62 -0.24 -3.33 0.00 0.00 175.10 172.43 1jac n SER 76 N 4.88 -5.49 0.00 3.54 2.88 -1.26 -1.33 113.62 116.84 1jac n SER 76 Ca -0.12 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.08 1jac n SER 76 Cb 0.48 -4.45 0.00 0.00 -0.75 0.00 0.00 64.21 59.49 1jac n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jac n GLY 77 N -1.46 1.92 3.59 0.46 0.00 -1.26 -5.01 105.19 103.42 1jac n GLY 77 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1jac n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 78 N -2.82 3.18 -0.12 1.61 2.02 -0.44 -5.06 117.35 115.73 1jac s TYR 78 Ca 0.00 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.38 1jac s TYR 78 Cb 0.00 -2.03 -0.02 0.00 -0.40 0.00 0.00 41.96 39.52 1jac s TYR 78 CO 0.00 0.10 0.94 0.54 -1.57 0.00 0.00 175.55 175.56 1jac s VAL 79 N 0.32 4.83 0.25 0.71 0.11 -1.26 -0.80 120.40 124.57 1jac s VAL 79 Ca 0.01 1.89 0.05 0.00 -2.93 0.00 0.00 61.98 61.00 1jac s VAL 79 Cb -0.13 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.45 1jac s VAL 79 CO 0.01 0.03 0.22 1.33 -3.33 0.00 0.00 175.10 173.37 1jac n VAL 80 N 4.52 0.00 -3.18 2.04 0.24 0.18 -4.79 118.33 117.34 1jac n VAL 80 Ca 0.07 -1.80 -0.43 0.00 -2.04 0.00 0.00 64.34 60.13 1jac n VAL 80 Cb 0.49 0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 33.70 1jac n VAL 80 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1jac s VAL 81 N -3.00 4.91 -0.00 3.34 1.01 0.08 -1.07 120.40 125.66 1jac s VAL 81 Ca 0.30 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1jac s VAL 81 Cb 0.01 -4.16 -0.25 0.00 0.00 0.00 0.00 36.38 31.99 1jac s VAL 81 CO 0.21 -0.55 0.82 0.03 0.00 0.00 0.00 175.10 175.61 1jac h ARG 82 N 8.83 0.13 -4.61 2.72 3.08 -0.49 -2.80 114.38 121.24 1jac h ARG 82 Ca -0.26 -0.22 -0.24 0.00 0.07 0.00 0.00 59.98 59.34 1jac h ARG 82 Cb 1.10 0.08 -0.17 0.00 0.08 0.00 0.00 29.97 31.06 1jac h ARG 82 CO 0.86 0.90 -0.71 -1.54 -1.07 0.00 0.00 179.97 178.42 1jac s SER 83 N -6.65 1.03 -0.09 7.04 1.04 -1.14 -0.39 113.70 114.54 1jac s SER 83 Ca -0.07 -0.86 -0.07 0.00 0.48 0.00 0.00 55.95 55.43 1jac s SER 83 Cb 0.08 0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.30 1jac s SER 83 CO 0.83 -0.39 0.22 -0.22 0.98 0.00 0.00 173.24 174.66 1jac s LEU 84 N -2.57 1.01 -0.06 2.42 2.96 -0.22 -2.51 118.68 119.71 1jac s LEU 84 Ca 0.05 0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.38 1jac s LEU 84 Cb 0.00 0.73 0.04 0.00 0.50 0.00 0.00 46.19 47.46 1jac s LEU 84 CO -0.03 -0.10 0.13 0.28 -1.32 0.00 0.00 176.35 175.32 1jac s THR 85 N 0.37 -0.05 -0.20 3.68 -1.32 0.11 -1.30 115.64 116.93 1jac s THR 85 Ca -0.02 0.18 -0.03 0.00 -1.21 0.00 0.00 61.69 60.61 1jac s THR 85 Cb -0.04 -0.22 -0.01 0.00 -1.51 0.00 0.00 72.50 70.72 1jac s THR 85 CO -0.02 0.08 -0.07 -0.36 -2.21 0.00 0.00 174.62 172.04 1jac s PHE 86 N 1.16 2.93 -0.27 9.09 0.08 -1.21 -1.13 117.98 128.62 1jac s PHE 86 Ca -0.09 -0.91 -0.08 0.00 0.12 0.00 0.00 56.93 55.98 1jac s PHE 86 Cb -0.12 -2.04 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1jac s PHE 86 CO -0.06 -0.48 0.09 0.21 -0.10 0.00 0.00 175.22 174.88 1jac s LYS 87 N 1.22 3.47 0.51 0.44 2.47 0.42 -0.50 119.74 127.78 1jac s LYS 87 Ca 0.03 -0.61 0.08 0.00 -1.56 0.00 0.00 55.97 53.91 1jac s LYS 87 Cb -0.14 -3.39 0.04 0.00 -1.46 0.00 0.00 37.83 32.88 1jac s LYS 87 CO -0.02 -0.29 0.58 0.95 0.16 0.00 0.00 175.35 176.73 1jac s THR 88 N 1.59 2.26 -1.35 3.43 -4.23 1.00 -0.11 115.64 118.23 1jac s THR 88 Ca 0.05 -1.19 0.14 0.00 -1.18 0.00 0.00 61.69 59.52 1jac s THR 88 Cb -0.16 -2.45 0.22 0.00 1.34 0.00 0.00 72.50 71.46 1jac s THR 88 CO 0.04 0.00 1.40 -0.46 -0.54 0.00 0.00 174.62 175.06 1jac n ASN 89 N -1.93 0.00 -0.01 3.99 6.94 -1.03 -3.40 115.26 119.82 1jac n ASN 89 Ca 0.08 0.16 -0.01 0.00 -0.02 0.00 0.00 54.58 54.78 1jac n ASN 89 Cb 0.62 -0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 37.70 1jac n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1jac n LYS 90 N -1.33 2.46 -4.01 -3.83 5.02 -1.26 -5.07 118.16 110.15 1jac n LYS 90 Ca 0.06 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.26 1jac n LYS 90 Cb 0.12 -1.06 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1jac n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jac s LYS 91 N -2.06 1.58 -0.18 1.97 2.20 -1.22 -5.15 119.74 116.89 1jac s LYS 91 Ca -0.02 -1.32 0.01 0.00 -0.36 0.00 0.00 55.97 54.28 1jac s LYS 91 Cb 0.01 0.46 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1jac s LYS 91 CO 0.08 -0.66 -0.20 0.99 -0.36 0.00 0.00 175.35 175.21 1jac s THR 92 N -3.90 2.05 -1.13 3.43 2.01 -1.26 -0.00 115.64 116.84 1jac s THR 92 Ca 0.24 -0.93 -0.17 0.00 0.31 0.00 0.00 61.69 61.13 1jac s THR 92 Cb -0.00 -1.85 0.12 0.00 0.01 0.00 0.00 72.50 70.78 1jac s THR 92 CO 0.10 0.54 1.42 -0.31 -0.69 0.00 0.00 174.62 175.68 1jac s TYR 93 N 1.28 3.11 0.00 4.92 2.02 0.34 -4.95 117.35 124.08 1jac s TYR 93 Ca 0.05 -1.65 0.00 0.00 -0.37 0.00 0.00 57.07 55.09 1jac s TYR 93 Cb -0.13 -4.45 0.00 0.00 -0.40 0.00 0.00 41.96 36.98 1jac s TYR 93 CO -0.13 -1.58 0.00 0.41 -1.57 0.00 0.00 175.55 172.68 1jac n GLY 94 N 5.13 0.00 3.65 0.71 0.00 -1.26 -3.36 105.19 110.06 1jac n GLY 94 Ca 0.35 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.91 1jac n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jac n PRO 95 N 0.00 1.83 -5.10 1.61 -0.04 -1.26 -4.80 135.00 127.25 1jac n PRO 95 Ca 0.00 0.66 -0.32 0.00 -0.04 0.00 0.00 63.50 63.80 1jac n PRO 95 Cb 0.00 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 30.98 1jac n PRO 95 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1jac s TYR 96 N 0.36 2.52 0.00 0.54 2.02 -0.42 -4.96 117.35 117.41 1jac s TYR 96 Ca 0.75 -0.32 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1jac s TYR 96 Cb -0.73 -1.57 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1jac s TYR 96 CO 0.45 0.06 0.00 0.41 -1.57 0.00 0.00 175.55 174.90 1jac n GLY 97 N 2.42 -0.29 3.40 0.71 0.00 -1.26 -1.05 105.19 109.12 1jac n GLY 97 Ca -0.17 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.77 1jac n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jac s VAL 98 N 0.00 3.81 -1.23 1.61 1.01 0.48 -4.85 120.40 121.23 1jac s VAL 98 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1jac s VAL 98 Cb 0.00 -2.74 0.19 0.00 0.00 0.00 0.00 36.38 33.84 1jac s VAL 98 CO 0.00 0.41 1.69 0.35 0.00 0.00 0.00 175.10 177.55 1jac n THR 99 N 4.54 4.48 -3.70 3.92 -2.24 -1.26 -3.39 114.28 116.63 1jac n THR 99 Ca -0.17 -4.73 -0.11 0.00 -2.27 0.00 0.00 64.05 56.77 1jac n THR 99 Cb 0.51 -2.35 -0.10 0.00 -2.10 0.00 0.00 70.33 66.29 1jac n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jac s SER 100 N 0.93 -0.53 0.00 3.42 0.15 -1.26 -5.10 113.70 111.31 1jac s SER 100 Ca 0.39 0.94 0.00 0.00 0.70 0.00 0.00 55.95 57.97 1jac s SER 100 Cb 0.05 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1jac s SER 100 CO 0.01 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1jac n GLY 101 N 3.83 0.56 3.67 9.45 0.00 -1.26 -4.67 105.19 116.77 1jac n GLY 101 Ca -0.20 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 1jac n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jac s THR 102 N -2.22 5.36 0.69 2.61 -4.23 -0.84 -4.92 115.64 112.08 1jac s THR 102 Ca 0.00 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.61 1jac s THR 102 Cb 0.00 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.34 1jac s THR 102 CO 0.00 0.36 1.07 -2.16 -0.54 0.00 0.00 174.62 173.34 1jac s PRO 103 N 0.95 2.89 0.01 3.99 0.04 -1.26 -1.70 135.00 139.91 1jac s PRO 103 Ca 0.08 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 1jac s PRO 103 Cb -0.13 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.46 1jac s PRO 103 CO 0.04 -1.14 0.39 -0.59 0.04 0.00 0.00 177.00 175.74 1jac s PHE 104 N -2.90 -0.26 -0.11 0.56 -0.12 -1.01 -4.93 117.98 109.22 1jac s PHE 104 Ca 0.60 0.33 -0.25 0.00 -0.05 0.00 0.00 56.93 57.56 1jac s PHE 104 Cb -0.15 0.18 0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1jac s PHE 104 CO 0.52 -0.49 0.60 0.54 -0.05 0.00 0.00 175.22 176.34 1jac s ASN 105 N -1.60 -0.58 -0.35 1.98 4.22 -1.26 -2.58 114.94 114.76 1jac s ASN 105 Ca -0.10 0.81 -0.00 0.00 -2.14 0.00 0.00 52.86 51.43 1jac s ASN 105 Cb -0.03 0.76 0.12 0.00 1.28 0.00 0.00 41.25 43.38 1jac s ASN 105 CO 0.02 -0.45 0.16 -0.22 -2.04 0.00 0.00 177.10 174.58 1jac s LEU 106 N -0.68 1.90 0.01 3.54 2.96 0.92 -4.99 118.68 122.33 1jac s LEU 106 Ca -0.08 -1.99 -0.15 0.00 -0.22 0.00 0.00 54.13 51.69 1jac s LEU 106 Cb -0.02 -0.75 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 1jac s LEU 106 CO 0.06 -0.35 0.42 -2.16 -1.32 0.00 0.00 176.35 173.00 1jac s PRO 107 N 1.20 3.93 -0.20 0.98 0.05 -1.26 -1.41 135.00 138.30 1jac s PRO 107 Ca 0.14 0.43 -0.08 0.00 0.05 0.00 0.00 61.00 61.54 1jac s PRO 107 Cb -0.20 -3.21 -0.04 0.00 0.05 0.00 0.00 34.50 31.10 1jac s PRO 107 CO -0.14 0.68 0.09 0.96 0.05 0.00 0.00 177.00 178.64 1jac s ILE 108 N -1.10 4.91 -0.17 0.56 -5.25 -0.28 -4.96 121.20 114.90 1jac s ILE 108 Ca 0.25 0.01 -0.22 0.00 -0.99 0.00 0.00 60.65 59.70 1jac s ILE 108 Cb -0.17 -3.24 -0.22 0.00 2.95 0.00 0.00 42.46 41.78 1jac s ILE 108 CO 0.14 0.42 0.42 -0.08 -1.79 0.00 0.00 174.94 174.06 1jac h GLU 109 N 7.00 0.05 -3.55 0.37 4.81 -1.98 -3.47 114.58 117.82 1jac h GLU 109 Ca -0.38 -0.08 -0.38 0.00 -0.13 0.00 0.00 59.36 58.40 1jac h GLU 109 Cb 1.17 0.03 -0.37 0.00 0.63 0.00 0.00 28.75 30.21 1jac h GLU 109 CO 0.69 1.04 -0.75 1.21 -0.73 0.00 0.00 179.01 180.47 1jac s ASN 110 N -6.72 0.98 0.00 1.04 2.47 -1.26 -5.10 114.94 106.35 1jac s ASN 110 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 52.86 53.04 1jac s ASN 110 Cb 0.03 -0.24 0.00 0.00 -1.45 0.00 0.00 41.25 39.59 1jac s ASN 110 CO 0.65 -0.18 0.00 0.61 -3.72 0.00 0.00 177.10 174.46 1jac n GLY 111 N 4.85 0.92 3.44 1.21 0.00 -1.26 -4.99 105.19 109.35 1jac n GLY 111 Ca -0.13 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.87 1jac n GLY 111 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jac s LEU 112 N 0.00 -0.06 0.05 0.99 2.96 0.19 -4.94 118.68 117.86 1jac s LEU 112 Ca 0.00 1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 54.68 1jac s LEU 112 Cb 0.00 1.85 -0.05 0.00 0.50 0.00 0.00 46.19 48.50 1jac s LEU 112 CO 0.00 -0.19 1.09 -0.63 -1.32 0.00 0.00 176.35 175.30 1jac s ILE 113 N 0.26 4.37 0.00 6.68 1.01 -1.26 -1.20 121.20 131.06 1jac s ILE 113 Ca -0.00 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.39 1jac s ILE 113 Cb -0.04 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1jac s ILE 113 CO 0.01 0.15 0.44 0.55 0.00 0.00 0.00 174.94 176.09 1jac n VAL 114 N 3.74 0.19 -3.62 2.92 3.14 0.25 -4.61 118.33 120.35 1jac n VAL 114 Ca 0.07 -0.31 -0.02 0.00 -2.96 0.00 0.00 64.34 61.11 1jac n VAL 114 Cb 0.48 1.21 -0.02 0.00 -1.06 0.00 0.00 33.84 34.46 1jac n VAL 114 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1jac s GLY 115 N -0.19 -0.27 0.08 7.55 0.00 -1.20 -1.75 107.32 111.53 1jac s GLY 115 Ca 0.00 1.66 0.03 0.00 0.00 0.00 0.00 44.72 46.41 1jac s GLY 115 CO 0.00 0.53 -0.10 -1.36 0.00 0.00 0.00 173.10 172.17 1jac s PHE 116 N -2.19 0.99 -0.01 1.90 0.08 -1.26 -0.48 117.98 117.00 1jac s PHE 116 Ca 0.11 -0.60 -0.20 0.00 0.12 0.00 0.00 56.93 56.36 1jac s PHE 116 Cb 0.00 -0.55 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1jac s PHE 116 CO -0.04 -0.02 0.43 -1.59 -0.10 0.00 0.00 175.22 173.90 1jac s LYS 117 N -2.40 0.82 0.00 0.44 -2.85 -0.88 -1.21 119.74 113.66 1jac s LYS 117 Ca 0.01 -0.10 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 1jac s LYS 117 Cb -0.05 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1jac s LYS 117 CO 0.00 -0.25 0.00 0.41 0.10 0.00 0.00 175.35 175.62 1jac n GLY 118 N 1.05 1.01 3.58 0.59 0.00 -0.18 -0.03 105.19 111.21 1jac n GLY 118 Ca -0.20 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 1jac n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jac s SER 119 N 2.00 -0.69 -0.03 1.61 0.15 -0.71 -1.31 113.70 114.71 1jac s SER 119 Ca 0.00 1.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.73 1jac s SER 119 Cb 0.00 1.03 0.03 0.00 -1.71 0.00 0.00 66.02 65.37 1jac s SER 119 CO 0.00 -0.39 0.05 -0.63 1.20 0.00 0.00 173.24 173.47 1jac s ILE 120 N -0.30 -0.09 0.00 6.45 1.01 -0.19 -1.33 121.20 126.73 1jac s ILE 120 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1jac s ILE 120 Cb -0.03 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1jac s ILE 120 CO 0.04 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.74 1jac n GLY 121 N 4.90 1.07 0.13 6.18 0.00 -1.26 -0.15 105.19 116.06 1jac n GLY 121 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1jac n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jac h TYR 122 N 0.00 0.33 -3.80 1.61 -1.99 -1.95 0.30 116.97 111.47 1jac h TYR 122 Ca 0.00 -0.18 -0.40 0.00 2.00 0.00 0.00 58.73 60.15 1jac h TYR 122 Cb 0.00 -0.04 -0.14 0.00 2.00 0.00 0.00 36.73 38.55 1jac h TYR 122 CO 0.00 0.98 -0.58 -1.58 -0.00 0.00 0.00 178.16 176.99 1jac s TRP 123 N -3.24 1.59 -0.46 4.88 0.51 -1.26 -4.46 118.94 116.51 1jac s TRP 123 Ca -0.03 -1.29 -0.28 0.00 -2.12 0.00 0.00 56.10 52.38 1jac s TRP 123 Cb 0.10 -0.89 -0.01 0.00 -0.81 0.00 0.00 33.47 31.86 1jac s TRP 123 CO 0.83 -0.43 1.63 -1.17 -0.51 0.00 0.00 176.95 177.30 1jac s LEU 124 N -3.37 3.46 0.04 2.99 2.96 0.81 -4.42 118.68 121.15 1jac s LEU 124 Ca 0.36 0.78 -0.25 0.00 -0.22 0.00 0.00 54.13 54.80 1jac s LEU 124 Cb 0.06 -3.23 -0.17 0.00 0.50 0.00 0.00 46.19 43.35 1jac s LEU 124 CO 0.16 -1.78 1.49 0.44 -1.32 0.00 0.00 176.35 175.34 1jac h ASP 125 N 12.38 -0.08 -5.00 3.68 3.32 -1.52 0.26 116.42 129.46 1jac h ASP 125 Ca -0.29 -0.20 0.08 0.00 0.02 0.00 0.00 57.03 56.64 1jac h ASP 125 Cb 1.14 0.02 -0.10 0.00 0.22 0.00 0.00 39.33 40.61 1jac h ASP 125 CO 1.11 0.16 0.35 -0.72 -1.72 0.00 0.00 179.24 178.43 1jac s TYR 126 N -5.26 -0.30 0.10 4.55 -0.85 -1.24 -4.19 117.35 110.16 1jac s TYR 126 Ca -0.14 0.02 -0.16 0.00 -0.52 0.00 0.00 57.07 56.27 1jac s TYR 126 Cb 0.04 0.61 0.03 0.00 0.38 0.00 0.00 41.96 43.02 1jac s TYR 126 CO 0.65 -0.86 0.38 -0.59 -1.52 0.00 0.00 175.55 173.61 1jac s PHE 127 N -3.52 -0.19 0.07 -3.49 -0.71 -1.26 -1.75 117.98 107.14 1jac s PHE 127 Ca 0.07 -0.06 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 1jac s PHE 127 Cb -0.02 0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.97 1jac s PHE 127 CO -0.03 -0.65 -0.05 -1.12 -1.34 0.00 0.00 175.22 172.03 1jac s SER 128 N -2.59 0.80 -0.01 1.98 0.01 0.96 -4.94 113.70 109.90 1jac s SER 128 Ca 0.01 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.30 1jac s SER 128 Cb 0.01 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.38 1jac s SER 128 CO -0.09 -0.54 -0.13 -0.04 0.41 0.00 0.00 173.24 172.85 1jac s MET 129 N -3.88 1.08 0.05 12.44 -1.94 -1.26 -2.06 119.30 123.72 1jac s MET 129 Ca 0.10 -0.48 -0.23 0.00 -1.71 0.00 0.00 55.69 53.37 1jac s MET 129 Cb 0.07 -1.04 -0.06 0.00 2.01 0.00 0.00 34.83 35.81 1jac s MET 129 CO -0.07 0.29 0.67 0.71 -0.01 0.00 0.00 175.02 176.61 1jac s TYR 130 N -0.32 3.75 -0.07 -0.03 1.51 0.36 -4.94 117.35 117.61 1jac s TYR 130 Ca 0.05 1.36 0.05 0.00 -1.01 0.00 0.00 57.07 57.53 1jac s TYR 130 Cb -0.05 -2.69 -0.01 0.00 -0.11 0.00 0.00 41.96 39.10 1jac s TYR 130 CO -0.00 0.38 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.08 1jac s LEU 131 N -0.41 2.18 0.14 -1.29 1.02 -1.26 -0.58 118.68 118.48 1jac s LEU 131 Ca 0.34 -0.48 -0.02 0.00 0.02 0.00 0.00 54.13 53.99 1jac s LEU 131 Cb -0.20 -1.41 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 1jac s LEU 131 CO 0.21 0.24 0.10 -0.55 0.02 0.00 0.00 176.35 176.36 1jac s SER 132 N -0.11 0.25 0.00 2.29 0.15 -0.34 -4.93 113.70 111.01 1jac s SER 132 Ca -0.05 -1.15 0.24 0.00 0.70 0.00 0.00 55.95 55.69 1jac s SER 132 Cb -0.14 0.33 0.29 0.00 -1.71 0.00 0.00 66.02 64.78 1jac s SER 132 CO 0.04 -0.76 1.32 -0.11 1.20 0.00 0.00 173.24 174.92